3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide

C16H18N2O2 — CID 61115143

IUPAC3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)17)16(20)18(2)10-12-5-3-6-13(19)9-12/h3-9,19H,10,17H2,1-2H3
InChIKeyPJNZLISNJWOUDA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide

3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 61115143) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
PubChem CID61115143
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)17)16(20)18(2)10-12-5-3-6-13(19)9-12/h3-9,19H,10,17H2,1-2H3
InChIKeyPJNZLISNJWOUDA-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
CID 61421960
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
CID 146122582
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide (CID 61115143) is 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is PJNZLISNJWOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-14(7-4-8-15(11)17)16(20)18(2)10-12-5-3-6-13(19)9-12/h3-9,19H,10,17H2,1-2H3.
What are the key properties of 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 61115143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).